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MMsINC code: MMs03286468

Type: Neutral
Formula: C₁₄H₂₂N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)CC(C)(C)C

InChI:

InChI=1/C14H22N2O3S/c1-14(2,3)10-13(17)16-9-8-11-4-6-12(7-5-11)20(15,18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.6062 kcal/mol

Physical Properties
Molecular Weight: 298.407 g/mol	logS: -3.57388	SlogP: 1.42887	Reactive groups: 0

Topological Properties
Globularity: 0.0558145	Sterimol/B1: 2.2472	Sterimol/B2: 2.98743	Sterimol/B3: 4.51075
Sterimol/B4: 5.14389	Sterimol/L: 18.3329

Surface and Volume Properties
Accessible surface: 559.698	Positive charged surface: 348.01	Negative charged surface: 211.687	Volume: 282.375
Hydrophobic surface: 340.654	Hydrophilic surface: 219.044

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03286469
PUBCHEM-ZINC05496092